Glycoside
GD155180
Name:
Alangilignoside DFormula:
C27H36O12Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2COC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 176.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD21025
Formula: C21H26O7
Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
